==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-JUL-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 08-NOV-01 1KCC . COMPND 2 MOLECULE: ENDOPOLYGALACTURONASE; . SOURCE 2 ORGANISM_SCIENTIFIC: CHONDROSTEREUM PURPUREUM; . AUTHOR T.SHIMIZU,T.NAKATSU,K.MIYAIRI,T.OKUNO,H.KATO . 333 1 3 3 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 12341.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 260 78.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 165 49.5 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 40 12.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 21 6.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 3 0.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 2 4 12 6 2 1 1 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 1 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 3 A a 0 0 91 0, 0.0 18,-2.5 0, 0.0 2,-0.5 0.000 360.0 360.0 360.0 14.5 58.0 58.5 -8.6 2 4 A T E -a 19 0A 61 16,-0.2 2,-0.6 18,-0.1 18,-0.2 -0.969 360.0-147.2-115.9 128.7 55.4 61.1 -7.6 3 5 A V E +a 20 0A 0 16,-3.1 18,-2.5 -2,-0.5 3,-0.1 -0.872 31.6 156.6-100.6 115.7 52.0 61.0 -9.4 4 6 A K + 0 0 128 -2,-0.6 2,-0.3 1,-0.2 -1,-0.1 0.319 67.2 13.6-117.8 2.3 50.5 64.4 -9.8 5 7 A S S > S- 0 0 39 18,-0.1 4,-1.0 1,-0.1 -1,-0.2 -0.963 86.2 -91.4-165.3 170.4 48.2 63.7 -12.7 6 8 A V T 4 S+ 0 0 24 -2,-0.3 4,-0.4 18,-0.3 3,-0.3 0.830 123.8 53.5 -63.7 -32.7 46.7 60.9 -14.8 7 9 A D T >4 S+ 0 0 120 1,-0.2 3,-1.5 2,-0.2 -1,-0.2 0.902 101.6 57.9 -74.1 -31.3 49.6 61.0 -17.2 8 10 A D G >4 S+ 0 0 51 1,-0.3 3,-2.1 2,-0.2 -1,-0.2 0.810 92.6 71.9 -60.1 -28.2 52.2 60.7 -14.4 9 11 A A G >< S+ 0 0 4 -4,-1.0 3,-0.8 -3,-0.3 25,-0.4 0.768 90.7 56.7 -61.8 -25.5 50.6 57.5 -13.4 10 12 A K G < S+ 0 0 93 -3,-1.5 3,-0.3 -4,-0.4 -1,-0.3 0.468 99.4 63.5 -81.7 -2.5 52.0 55.8 -16.5 11 13 A D G < + 0 0 113 -3,-2.1 -1,-0.2 -4,-0.2 -2,-0.1 0.191 69.7 96.3-109.1 16.1 55.5 56.7 -15.5 12 14 A I X + 0 0 5 -3,-0.8 3,-2.6 2,-0.1 24,-0.4 0.454 44.5 126.0 -90.3 3.3 56.0 54.8 -12.3 13 15 A A T 3 S+ 0 0 86 -3,-0.3 3,-0.1 1,-0.3 -3,-0.0 -0.408 76.9 27.6 -65.8 129.7 57.7 51.7 -13.7 14 16 A G T 3 S+ 0 0 61 1,-0.3 2,-0.6 -2,-0.2 -1,-0.3 0.227 91.9 121.7 103.3 -14.4 61.0 51.3 -11.7 15 17 A a < + 0 0 8 -3,-2.6 21,-0.6 1,-0.2 -1,-0.3 -0.756 35.5 179.6 -87.2 118.8 59.6 53.0 -8.6 16 18 A S S S+ 0 0 91 -2,-0.6 24,-2.7 1,-0.2 2,-0.4 0.639 84.4 41.5 -83.2 -16.1 59.7 50.9 -5.4 17 19 A A E S- b 0 40A 62 22,-0.2 2,-0.4 2,-0.0 -1,-0.2 -0.979 75.0-177.7-132.9 114.2 58.2 53.9 -3.5 18 20 A V E - b 0 41A 2 22,-2.9 24,-2.8 -2,-0.4 2,-0.5 -0.946 13.9-153.3-113.5 135.9 55.5 55.9 -5.2 19 21 A T E -ab 2 42A 50 -18,-2.5 -16,-3.1 -2,-0.4 2,-0.8 -0.950 6.1-155.8-107.1 127.1 53.8 59.0 -3.8 20 22 A L E -ab 3 43A 0 22,-3.0 24,-3.2 -2,-0.5 25,-0.8 -0.900 16.6-162.3-101.7 102.8 50.3 59.6 -5.0 21 23 A N - 0 0 47 -18,-2.5 2,-0.3 -2,-0.8 24,-0.2 -0.262 26.7 -92.4 -76.3 168.9 49.6 63.3 -4.6 22 24 A G + 0 0 37 22,-0.2 2,-0.3 25,-0.1 25,-0.2 -0.622 61.7 131.8 -81.7 145.1 46.1 64.8 -4.6 23 25 A F E -c 47 0A 28 23,-1.0 25,-2.0 -2,-0.3 2,-0.5 -0.956 54.7 -89.0-170.9 173.5 44.7 66.1 -7.9 24 26 A T E -c 48 0A 80 -2,-0.3 -18,-0.3 23,-0.2 25,-0.2 -0.864 25.7-139.6 -99.5 133.5 41.5 65.9 -10.0 25 27 A V E -c 49 0A 2 23,-2.8 25,-2.0 -2,-0.5 3,-0.1 -0.834 35.5-132.0 -84.0 111.8 41.0 63.2 -12.5 26 28 A P > - 0 0 62 0, 0.0 3,-1.7 0, 0.0 26,-0.0 -0.203 29.3 -78.2 -69.9 160.2 39.4 65.2 -15.3 27 29 A A T 3 S+ 0 0 59 1,-0.3 25,-0.1 24,-0.1 24,-0.1 -0.205 118.5 25.5 -46.8 139.2 36.3 64.2 -17.2 28 30 A G T 3 S+ 0 0 45 1,-0.3 2,-0.3 22,-0.2 -1,-0.3 0.556 105.4 97.5 83.8 4.9 37.0 61.5 -19.8 29 31 A N < - 0 0 63 -3,-1.7 2,-0.3 -4,-0.1 -1,-0.3 -0.886 53.2-153.8-127.2 161.3 40.1 60.1 -18.0 30 32 A T - 0 0 53 -2,-0.3 2,-0.6 -3,-0.1 29,-0.2 -0.887 18.1-128.1-126.8 160.0 41.0 57.2 -15.7 31 33 A L E +d 59 0A 0 27,-2.7 29,-2.2 -2,-0.3 2,-0.5 -0.948 31.0 178.4-110.8 112.2 43.7 56.7 -13.1 32 34 A V E -d 60 0A 56 -2,-0.6 2,-0.5 -26,-0.3 29,-0.2 -0.968 7.4-173.2-120.7 123.8 45.6 53.5 -13.7 33 35 A L E +d 61 0A 0 27,-2.8 29,-2.1 -2,-0.5 -23,-0.1 -0.971 11.7 176.0-120.9 126.9 48.5 52.4 -11.5 34 36 A N - 0 0 98 -2,-0.5 29,-0.2 -25,-0.4 3,-0.1 -0.759 25.0-168.8-122.6 76.6 50.6 49.3 -12.3 35 37 A P - 0 0 10 0, 0.0 29,-0.4 0, 0.0 3,-0.1 -0.270 28.2 -90.6 -72.6 157.1 53.3 49.6 -9.6 36 38 A D > - 0 0 52 -21,-0.6 3,-2.5 -24,-0.4 -23,-0.0 -0.224 59.3 -78.9 -57.1 151.2 56.4 47.5 -9.5 37 39 A K T 3 S+ 0 0 170 1,-0.3 28,-0.2 -3,-0.1 -1,-0.2 -0.266 117.7 8.1 -54.3 133.9 56.3 44.2 -7.6 38 40 A G T 3 S+ 0 0 48 26,-3.0 -1,-0.3 1,-0.2 27,-0.1 0.507 94.2 153.6 72.9 6.2 56.5 44.8 -3.9 39 41 A A < - 0 0 0 -3,-2.5 28,-2.7 25,-0.3 2,-0.5 -0.277 42.2-132.7 -70.1 152.0 56.2 48.6 -4.2 40 42 A T E -be 17 67A 45 -24,-2.7 -22,-2.9 26,-0.2 2,-0.5 -0.920 18.4-165.5 -98.6 127.6 54.9 50.9 -1.5 41 43 A V E -be 18 68A 0 26,-2.4 28,-2.9 -2,-0.5 2,-0.5 -0.974 7.1-168.9-113.3 118.3 52.3 53.4 -2.8 42 44 A T E -be 19 69A 49 -24,-2.8 -22,-3.0 -2,-0.5 2,-0.4 -0.948 15.2-138.8-114.8 125.9 51.6 56.2 -0.3 43 45 A M E +b 20 0A 2 26,-2.7 -22,-0.2 -2,-0.5 30,-0.1 -0.673 23.2 173.1 -81.7 134.1 48.8 58.6 -0.7 44 46 A A + 0 0 54 -24,-3.2 2,-0.3 -2,-0.4 -22,-0.2 0.317 64.9 14.9-122.9 2.4 49.7 62.3 0.2 45 47 A G S S- 0 0 12 -25,-0.8 2,-0.3 -24,-0.2 -1,-0.1 -0.959 84.9 -83.5-162.5 175.1 46.4 64.0 -1.0 46 48 A D - 0 0 72 -2,-0.3 -23,-1.0 27,-0.1 2,-0.6 -0.681 32.6-143.3 -90.5 144.9 42.8 63.5 -1.9 47 49 A I E -cf 23 75A 0 27,-2.7 29,-2.9 -2,-0.3 2,-0.4 -0.948 15.1-165.4-112.4 118.8 41.9 62.4 -5.5 48 50 A T E -cf 24 76A 43 -25,-2.0 -23,-2.8 -2,-0.6 2,-0.7 -0.884 9.7-146.5-108.1 136.0 38.7 63.9 -6.8 49 51 A F E -c 25 0A 3 27,-2.7 3,-0.1 -2,-0.4 -25,-0.1 -0.881 15.5-138.4-107.7 111.3 37.0 62.6 -10.0 50 52 A A - 0 0 31 -25,-2.0 -22,-0.2 -2,-0.7 0, 0.0 -0.270 45.6 -75.0 -60.0 155.1 35.2 65.2 -12.1 51 53 A K - 0 0 116 -24,-0.1 2,-0.3 2,-0.1 -1,-0.2 -0.275 67.0-176.5 -56.2 133.0 31.8 64.2 -13.4 52 54 A T - 0 0 11 -25,-0.1 -25,-0.1 -3,-0.1 -1,-0.1 -0.880 40.5-146.1-136.6 157.0 32.5 61.8 -16.3 53 55 A T + 0 0 123 -2,-0.3 -1,-0.1 2,-0.1 -2,-0.1 0.466 67.2 112.5 -99.7 -4.0 30.7 59.8 -19.0 54 56 A L S S- 0 0 52 1,-0.1 2,-0.2 -25,-0.1 -2,-0.1 -0.281 71.2-114.7 -68.8 152.6 33.2 56.9 -18.9 55 57 A D - 0 0 123 40,-0.1 -1,-0.1 1,-0.1 -2,-0.1 -0.497 54.8 -72.4 -70.5 153.3 32.3 53.5 -17.7 56 58 A G S S+ 0 0 18 40,-0.6 42,-0.2 38,-0.3 40,-0.1 -0.313 93.0 81.0 -74.2 170.7 34.1 52.4 -14.5 57 59 A P + 0 0 40 0, 0.0 41,-0.2 0, 0.0 42,-0.2 0.430 47.9 176.2 -74.1 144.2 36.5 51.5 -13.1 58 60 A L S S+ 0 0 3 40,-1.6 -27,-2.7 39,-0.5 2,-0.4 0.718 76.2 35.2 -84.9 -23.8 37.7 55.1 -12.8 59 61 A F E S+dg 31 99A 3 39,-1.8 41,-2.2 -29,-0.2 2,-0.4 -0.997 70.4 177.9-129.7 127.8 40.7 54.0 -10.7 60 62 A T E -dg 32 100A 18 -29,-2.2 -27,-2.8 -2,-0.4 2,-0.4 -0.999 6.0-177.5-130.0 131.0 42.5 50.7 -11.2 61 63 A I E +dg 33 101A 0 39,-2.4 41,-2.6 -2,-0.4 2,-0.4 -0.999 8.7 173.1-126.6 133.2 45.5 49.5 -9.3 62 64 A D E + g 0 102A 58 -29,-2.1 2,-0.3 -2,-0.4 41,-0.2 -0.969 19.9 115.6-142.7 115.3 47.1 46.2 -10.3 63 65 A G E - g 0 103A 10 39,-1.4 41,-2.5 -2,-0.4 2,-0.5 -0.975 56.0 -96.4-168.6 175.6 50.3 44.8 -8.9 64 66 A T E S- 0 0 43 -29,-0.4 -26,-3.0 -2,-0.3 -25,-0.3 -0.903 98.4 -6.7-107.6 125.1 51.9 42.0 -6.9 65 67 A G E S+ 0 0 35 -2,-0.5 40,-0.3 63,-0.2 -1,-0.2 0.818 85.4 177.2 64.6 34.6 52.7 42.4 -3.2 66 68 A I E - g 0 105A 2 38,-2.1 40,-2.8 -3,-0.3 2,-0.6 -0.466 23.5-153.6 -74.6 139.1 51.7 46.1 -3.2 67 69 A N E -eg 40 106A 59 -28,-2.7 -26,-2.4 38,-0.2 2,-0.6 -0.920 15.1-169.8-110.7 103.2 51.8 48.0 0.1 68 70 A F E -eg 41 107A 1 38,-2.9 40,-2.5 -2,-0.6 2,-0.7 -0.856 4.7-168.6-104.9 117.9 49.2 50.8 -0.2 69 71 A V E -eg 42 108A 46 -28,-2.9 -26,-2.7 -2,-0.6 40,-0.1 -0.892 4.5-176.4-109.6 103.5 49.4 53.4 2.6 70 72 A G > - 0 0 0 38,-2.5 3,-2.3 -2,-0.7 39,-0.2 0.739 16.8-153.5 -80.7 -23.3 46.4 55.6 2.4 71 73 A A T 3 - 0 0 52 1,-0.3 39,-0.2 37,-0.2 38,-0.1 0.812 69.2 -66.2 53.0 35.1 47.2 58.0 5.2 72 74 A D T 3 S+ 0 0 106 37,-2.6 -1,-0.3 1,-0.2 38,-0.2 0.628 94.7 151.1 62.2 20.4 43.4 58.6 5.6 73 75 A H < - 0 0 44 -3,-2.3 38,-2.7 36,-0.5 2,-0.4 -0.265 37.3-120.7 -79.5 171.4 43.1 60.3 2.2 74 76 A I E - 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